2-bromanyl-N-[[[4-[(3-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]benzamide

Systemtic Name: 2-bromanyl-N-[[[4-[(3-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[[[4-[[(3-methylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[[4-(m-toluoylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C23H19BrN4O3S MolecularWeight: 511.39096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C23H19BrN4O3S/c1-14-5-4-6-16(13-14)20(29)25-17-11-9-15(10-12-17)21(30)27-28-23(32)26-22(31)18-7-2-3-8-19(18)24/h2-13H,1H3,(H,25,29)(H,27,30)(H2,26,28,31,32)